3-(3,5-dimethylphenyl)-2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3,5-dimethylphenyl)-2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(3,5-dimethylphenyl)-2-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3,5-dimethylphenyl)-2-[[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-(3,5-dimethylphenyl)-2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-(3,5-dimethylphenyl)-2-[[2-(3,5-dimethylpiperidino)-2-keto-ethyl]thio]quinazolin-4-one Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC(=C4)C)C)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC(=C4)C)C)C

InChI

InChI=1S/C25H29N3O2S/c1-16-9-17(2)12-20(11-16)28-24(30)21-7-5-6-8-22(21)26-25(28)31-15-23(29)27-13-18(3)10-19(4)14-27/h5-9,11-12,18-19H,10,13-15H2,1-4H3